3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

C18H20Cl2N2OS2 — CID 23804517

IUPAC3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCSC1CCCCC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H20Cl2N2OS2/c19-14-7-6-12(10-15(14)20)16-11-25-18(21-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,21,22,23)
InChIKeyWMRFJXVHGDMGRZ-UHFFFAOYSA-N
MW415.41 g/mol
LogP6.51
Rot. Bonds6

About 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23804517) has the molecular formula C18H20Cl2N2OS2 and a molecular weight of 415.41 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23804517
Molecular FormulaC18H20Cl2N2OS2
Molecular Weight415.41 g/mol
Exact Mass414.04
IUPAC Name3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCSC1CCCCC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H20Cl2N2OS2/c19-14-7-6-12(10-15(14)20)16-11-25-18(21-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,21,22,23)
InChIKeyWMRFJXVHGDMGRZ-UHFFFAOYSA-N
XLogP6.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324868
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804381
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
(1S,2S,3R,4S)-3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 18555815
(1R,2S,3S,4S)-3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27524683
(1S,2S,3S,4S)-3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18555818
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 23804517) is 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCSC1CCCCC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WMRFJXVHGDMGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS2/c19-14-7-6-12(10-15(14)20)16-11-25-18(21-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,21,22,23).
What are the key properties of 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 415.41 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23804517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).